+Open data
-Basic information
Entry | Database: PDB / ID: 4ggv | ||||||
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Title | Crystal Structure of HmtT Involved in Himastatin Biosynthesis | ||||||
Components | Cytochrome P450 superfamily protein | ||||||
Keywords | OXIDOREDUCTASE / Cysteine-ligand loop / Hydrolase | ||||||
Function / homology | Function and homology information oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding Similarity search - Function | ||||||
Biological species | Streptomyces himastatinicus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.331 Å | ||||||
Authors | Zhang, H. / Chen, J. / Wang, H. / Zhang, H. | ||||||
Citation | Journal: Febs Lett. / Year: 2013 Title: Structural analysis of HmtT and HmtN involved in the tailoring steps of himastatin biosynthesis Authors: Zhang, H. / Chen, J. / Wang, H. / Xie, Y. / Ju, J. / Yan, Y. / Zhang, H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4ggv.cif.gz | 94.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4ggv.ent.gz | 70.8 KB | Display | PDB format |
PDBx/mmJSON format | 4ggv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gg/4ggv ftp://data.pdbj.org/pub/pdb/validation_reports/gg/4ggv | HTTPS FTP |
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-Related structure data
Related structure data | 2jjoS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 46477.496 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces himastatinicus (bacteria) / Strain: ATCC 53653 / Gene: hmtT, SSOG_07642 / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: D9WMR2, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of one atom of oxygen into the other donor |
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#2: Chemical | ChemComp-HEM / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.45 % |
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Crystal grow | Temperature: 277.15 K / Method: vapor diffusion, sitting drop / pH: 4.6 Details: 8%(w/v) PEG4000, 3%(v/v) Dimethyl Sulfoxide, 0.1M Sodium acetate trihydrate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
-Data collection
Diffraction | Mean temperature: 77.15 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.979228 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: May 2, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979228 Å / Relative weight: 1 |
Reflection | Resolution: 2.331→44.1244 Å / Num. all: 18771 / Num. obs: 17864 / % possible obs: 99.9578 % / Observed criterion σ(F): 3 / Observed criterion σ(I): 2.4 / Redundancy: 4.3 % / Biso Wilson estimate: 24.89 Å2 / Rmerge(I) obs: 0.071 |
Reflection shell | Resolution: 2.331→2.37 Å / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2JJO Resolution: 2.331→44.124 Å / SU ML: 0.24 / σ(F): 1.36 / Phase error: 25.14 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.6 Å / VDW probe radii: 0.9 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 27.525 Å2 / ksol: 0.337 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.331→44.124 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 7
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